data_3r3t_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 3r3t _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 0' ' ' ALA . . . . . 0.511 ' O ' ' CG ' ' A' ' 1' ' ' MSE . . . . . . . . 0 C--O 1.243 0.744 0 N-CA-C 110.486 -0.19 . . . . 54.659999999999997 110.486 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' MSE . . . . . 0.511 ' CG ' ' O ' ' A' ' 0' ' ' ALA . 1.7 mmm -161.31 131.59 5.03 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.679 0.992 . . . . 86.859999999999999 113.679 174.724 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -127.08 155.45 43.26 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 107.555 -1.276 . . . . 72.319999999999993 107.555 179.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -88.61 119.25 28.9 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.623 -0.831 . . . . 51.880000000000003 111.915 172.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -114.55 161.08 18.51 Favored 'General case' 0 CA--C 1.501 -0.904 0 CA-C-O 122.177 0.989 . . . . 48.0 112.065 179.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -129.59 139.91 51.34 Favored 'General case' 0 N--CA 1.433 -1.316 0 N-CA-C 103.904 -2.628 . . . . 82.230000000000004 103.904 171.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.7 mt -135.2 138.45 48.68 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.884 0 CA-C-N 117.591 0.178 . . . . 38.700000000000003 111.443 -175.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' MSE . . . . . . . . . . . . . 42.4 ttp -126.1 137.01 53.58 Favored 'General case' 0 CA--C 1.493 -1.239 0 N-CA-C 107.916 -1.142 . . . . 73.25 107.916 175.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -145.04 155.12 43.17 Favored 'General case' 0 CA--C 1.488 -1.431 0 C-N-CA 119.58 -0.848 . . . . 55.560000000000002 110.306 172.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mt -122.11 127.79 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.035 0 CA-C-N 114.208 -1.36 . . . . 38.619999999999997 109.061 -175.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 59.8 mt -94.05 130.09 43.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 CA-C-N 113.156 -1.838 . . . . 44.310000000000002 108.003 174.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.0 ptt85 -56.96 148.17 50.95 Favored Pre-proline 0 CA--C 1.501 -0.917 0 N-CA-C 107.268 -1.382 . . . . 53.359999999999999 107.268 -179.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -80.89 -1.12 11.05 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 O-C-N 122.774 0.881 . . . . 57.240000000000002 111.589 -168.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.99 -13.24 78.0 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.006 -0.616 . . . . 60.469999999999999 112.729 -176.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.7 m -75.98 140.93 16.48 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.713 0 C-N-CA 123.207 0.603 . . . . 61.799999999999997 111.481 -172.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -87.44 143.74 27.08 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.502 0.927 . . . . 65.409999999999997 113.502 -169.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -33.68 -57.18 0.44 Allowed 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 114.079 1.14 . . . . 77.209999999999994 114.079 -172.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -62.16 -41.74 98.58 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 121.109 0.48 . . . . 99.870000000000005 112.111 -179.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ALA . . . . . 0.512 ' O ' ' C ' ' A' ' 19' ' ' GLN . . . -55.66 -55.83 27.6 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 106.233 -1.765 . . . . 53.32 106.233 176.983 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLN . . . . . 0.512 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.5 tt0 -33.48 -77.57 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.631 -0.713 . . . . 89.799999999999997 109.41 176.665 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -44.38 -44.51 8.34 Favored 'General case' 0 C--O 1.219 -0.531 0 C-N-CA 120.235 -0.586 . . . . 69.939999999999998 110.831 -174.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.74 -44.82 73.91 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.097 -0.641 . . . . 52.060000000000002 111.359 -179.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 tp -67.28 -47.95 69.13 Favored 'General case' 0 CA--C 1.491 -1.297 0 CA-C-O 122.226 1.012 . . . . 50.240000000000002 109.222 -178.361 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.9 t -55.35 -59.72 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 CA-C-N 114.149 -1.387 . . . . 45.090000000000003 111.306 -179.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -56.06 -34.24 65.74 Favored 'General case' 0 N--CA 1.435 -1.189 0 N-CA-C 105.395 -2.076 . . . . 58.240000000000002 105.395 -178.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -59.04 -51.37 70.33 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 118.292 -1.363 . . . . 80.680000000000007 111.152 -176.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -65.89 -39.06 90.3 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 114.554 1.316 . . . . 50.219999999999999 114.554 -174.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.8 -43.8 85.89 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.7 -0.852 . . . . 52.359999999999999 108.7 172.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.64 -43.28 79.09 Favored Glycine 0 CA--C 1.506 -0.51 0 N-CA-C 110.428 -1.069 . . . . 53.630000000000003 110.428 176.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.8 t -60.41 -38.49 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-O 121.651 0.739 . . . . 46.539999999999999 111.06 178.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 45.3 mt -73.31 -37.45 66.18 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 119.106 -1.038 . . . . 52.469999999999999 109.514 -175.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.66 -47.51 53.78 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 113.126 0.787 . . . . 60.049999999999997 113.126 -171.881 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -54.92 -5.85 0.11 Allowed 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 114.177 1.177 . . . . 58.909999999999997 114.177 -179.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -120.41 22.26 11.36 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 115.711 1.745 . . . . 76.510000000000005 115.711 -178.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.54 -15.2 57.68 Favored Glycine 0 C--O 1.228 -0.27 0 C-N-CA 120.602 -0.809 . . . . 52.990000000000002 113.744 175.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.06 157.05 8.49 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.667 -0.864 . . . . 45.299999999999997 108.667 177.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -135.93 110.53 8.61 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.795 0.807 . . . . 66.390000000000001 110.392 179.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.5 mt -82.83 116.33 26.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.356 -0.838 . . . . 58.810000000000002 111.442 -179.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -89.78 -25.76 5.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 N-CA-C 112.296 0.48 . . . . 55.049999999999997 112.296 179.178 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -167.19 143.9 4.46 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 116.282 1.956 . . . . 51.579999999999998 116.282 178.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.2 m -130.33 137.5 49.96 Favored 'General case' 0 CA--C 1.504 -0.824 0 CA-C-N 116.312 -0.404 . . . . 59.310000000000002 111.637 179.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -127.08 138.66 53.24 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 114.865 -1.061 . . . . 74.269999999999996 108.836 177.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -120.62 123.44 42.81 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 104.701 -2.333 . . . . 79.060000000000002 104.701 179.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' TRP . . . . . 0.436 ' CE3' ' NH1' ' A' ' 46' ' ' ARG . 49.8 m95 -102.41 1.36 35.23 Favored 'General case' 0 CA--C 1.507 -0.683 0 C-N-CA 119.615 -0.834 . . . . 71.459999999999994 109.41 -174.882 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.19 -170.82 33.43 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 107.48 -2.248 . . . . 51.969999999999999 107.48 -178.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.64 132.64 45.74 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.102 -0.639 . . . . 68.379999999999995 110.071 -176.398 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ARG . . . . . 0.436 ' NH1' ' CE3' ' A' ' 43' ' ' TRP . 34.0 mmt180 -142.11 152.01 42.85 Favored 'General case' 0 CA--C 1.521 -0.152 0 N-CA-C 108.225 -1.028 . . . . 64.799999999999997 108.225 -175.727 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -116.4 100.08 7.63 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 109.59 -0.522 . . . . 69.590000000000003 109.59 169.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 29.9 mt -108.53 131.69 54.58 Favored 'General case' 0 CA--C 1.496 -1.104 0 C-N-CA 119.48 -0.888 . . . . 42.789999999999999 108.73 -174.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -98.29 132.66 43.59 Favored 'General case' 0 CA--C 1.492 -1.266 0 N-CA-C 105.704 -1.961 . . . . 42.670000000000002 105.704 174.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' TYR . . . . . 0.508 ' CE1' ' O3 ' ' B' ' 100' ' ' SO4 . 39.3 p90 -123.18 134.07 54.19 Favored 'General case' 0 N--CA 1.423 -1.801 0 CA-C-O 121.009 0.433 . . . . 65.069999999999993 111.117 176.325 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -119.52 133.43 55.68 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 118.153 -1.419 . . . . 65.840000000000003 109.13 167.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ILE . . . . . 0.47 ' C ' ' ND2' ' A' ' 53' ' ' ASN . 11.0 mt -116.68 152.6 18.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 114.799 -1.092 . . . . 40.729999999999997 110.531 -175.114 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ASN . . . . . 0.47 ' ND2' ' C ' ' A' ' 52' ' ' ILE . 1.6 m-80 -155.28 121.54 5.21 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.644 -0.502 . . . . 56.670000000000002 109.644 179.728 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -140.89 169.46 17.59 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 107.407 -1.331 . . . . 52.0 107.407 -176.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -139.55 122.81 17.01 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 107.327 -1.36 . . . . 49.600000000000001 107.327 175.613 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -126.6 125.51 42.07 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 121.844 0.831 . . . . 47.450000000000003 111.017 -176.933 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -119.95 128.69 53.82 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 106.844 -1.539 . . . . 60.060000000000002 106.844 179.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 172.6 177.12 41.76 Favored Glycine 0 N--CA 1.441 -1.033 0 N-CA-C 107.528 -2.229 . . . . 43.990000000000002 107.528 179.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -84.27 113.8 21.38 Favored 'General case' 0 CA--C 1.489 -1.383 0 CA-C-O 121.854 0.835 . . . . 63.32 110.866 179.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -90.54 132.85 35.46 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 114.007 -1.451 . . . . 46.030000000000001 111.569 -167.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' MSE . . . . . . . . . . . . . 68.3 mmm -130.42 134.57 47.22 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 114.86 -1.064 . . . . 83.159999999999997 110.005 -175.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 2.9 mp -127.99 133.88 66.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 O-C-N 121.571 -0.705 . . . . 56.420000000000002 111.789 179.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.3 mt -126.47 136.83 53.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 122.831 1.3 . . . . 45.659999999999997 114.094 179.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -107.03 127.69 53.69 Favored 'General case' 0 N--CA 1.435 -1.196 0 N-CA-C 107.401 -1.333 . . . . 54.789999999999999 107.401 171.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 86.2 t -149.79 137.8 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.929 0 N-CA-C 114.247 1.203 . . . . 51.890000000000001 114.247 -168.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -99.98 119.04 37.63 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 106.155 -1.795 . . . . 47.229999999999997 106.155 168.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -147.5 165.49 30.15 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 112.974 0.731 . . . . 47.700000000000003 112.974 -177.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ASN . . . . . 0.583 ' N ' ' ND2' ' A' ' 68' ' ' ASN . 0.0 OUTLIER -91.56 160.22 15.52 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.167 -0.924 . . . . 63.939999999999998 110.265 172.311 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -47.63 -48.7 28.46 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 108.429 -0.952 . . . . 65.909999999999997 108.429 179.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -51.67 -43.08 62.58 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 115.545 -0.752 . . . . 76.689999999999998 111.175 -174.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.07 -44.5 97.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.463 -0.789 . . . . 52.719999999999999 111.913 -175.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ILE . . . . . 0.54 ' O ' ' N ' ' A' ' 76' ' ' ASP . 30.5 mm -66.26 -36.48 77.5 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.557 0 CA-C-N 115.807 -0.633 . . . . 44.990000000000002 111.96 -172.102 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ASN . . . . . 0.539 ' O ' ' N ' ' A' ' 77' ' ' ARG . 40.4 m-20 -63.92 -43.18 96.7 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-O 121.759 0.79 . . . . 54.259999999999998 110.187 -179.682 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -56.3 -50.81 70.37 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.083 -0.962 . . . . 73.950000000000003 108.86 175.733 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -57.59 -48.7 78.66 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 108.055 -1.091 . . . . 43.479999999999997 108.055 173.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ASP . . . . . 0.54 ' N ' ' O ' ' A' ' 72' ' ' ILE . 40.6 t0 -49.94 -66.86 0.32 Allowed 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 113.95 -1.477 . . . . 69.349999999999994 109.271 -178.489 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' A' ' 73' ' ' ASN . 7.1 ttp-105 -46.88 -52.42 14.46 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.638 -1.164 . . . . 74.540000000000006 112.414 -174.895 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 44.1 mt -68.08 -26.04 65.63 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 113.637 0.977 . . . . 53.479999999999997 113.637 -173.044 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.9 -40.52 65.48 Favored 'General case' 0 CA--C 1.509 -0.631 0 N-CA-C 108.085 -1.08 . . . . 44.780000000000001 108.085 -178.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt -64.18 -39.38 93.88 Favored 'General case' 0 CA--C 1.506 -0.735 0 CA-C-N 115.687 -0.688 . . . . 59.079999999999998 112.266 -173.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -76.48 -44.95 34.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 C-N-CA 120.128 -0.629 . . . . 75.829999999999998 111.365 -176.507 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -57.73 122.79 13.67 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 113.521 0.934 . . . . 59.189999999999998 113.521 -173.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -71.65 -13.93 61.9 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-N 116.679 -0.237 . . . . 76.799999999999997 111.034 -172.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -80.98 -19.65 43.6 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 113.053 0.761 . . . . 65.519999999999996 113.053 -179.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.5 mm -96.13 111.45 26.38 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.443 0 CA-C-O 120.869 0.366 . . . . 50.210000000000001 111.913 175.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 60.5 mt -77.01 -52.05 10.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.981 0.419 . . . . 53.240000000000002 110.451 -178.022 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -144.08 140.64 29.59 Favored 'General case' 0 C--O 1.193 -1.897 0 O-C-N 121.57 -0.706 . . . . 59.039999999999999 111.036 -174.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -143.24 155.76 44.58 Favored 'General case' 0 C--N 1.314 -0.939 0 O-C-N 121.394 -0.816 . . . . 45.869999999999997 110.345 176.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 36.1 mt -148.8 144.33 18.51 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.936 0 N-CA-C 113.134 0.791 . . . . 45.689999999999998 113.134 -166.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 13.7 t -134.83 126.99 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.32 0 CA-C-N 114.997 -1.001 . . . . 47.780000000000001 112.153 -172.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 85.3 t -118.98 126.91 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.185 0 CA-C-O 122.769 1.271 . . . . 43.700000000000003 109.707 173.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -117.12 155.46 29.28 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 114.019 -1.446 . . . . 53.18 109.661 168.451 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.67 136.85 33.57 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.28 -0.873 . . . . 70.340000000000003 109.864 172.197 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' GLU . . . . . 0.436 ' OE2' ' CA ' ' A' ' 94' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.394 0 N-CA-C 108.685 -0.858 . . . . 83.599999999999994 108.685 174.72 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' MSE . . . . . . . . . . . . . 6.8 mtt . . . . . 0 N--CA 1.439 -0.976 0 N-CA-C 111.431 0.159 . . . . 83.739999999999995 111.431 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -141.44 162.69 34.87 Favored 'General case' 0 CA--C 1.506 -0.729 0 N-CA-C 108.216 -1.031 . . . . 67.75 108.216 177.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -77.74 144.64 37.05 Favored 'General case' 0 N--CA 1.434 -1.228 0 N-CA-C 105.4 -2.074 . . . . 65.180000000000007 105.4 172.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -143.72 151.94 40.66 Favored 'General case' 0 CA--C 1.494 -1.182 0 N-CA-C 107.045 -1.465 . . . . 51.170000000000002 107.045 176.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 56.8 tt0 -123.77 138.14 54.56 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 103.696 -2.705 . . . . 96.959999999999994 103.696 172.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 98.5 mt -137.54 125.46 31.58 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.921 0 CA-C-O 121.926 0.869 . . . . 45.32 111.546 -174.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' MSE . . . . . . . . . . . . . 12.0 ttp -115.35 138.55 50.86 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.465 -1.243 . . . . 120.55 108.722 -177.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -151.07 154.33 36.8 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-O 122.991 1.377 . . . . 46.640000000000001 114.333 168.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 39.5 mt -114.62 135.0 55.84 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.628 0 CA-C-N 113.258 -1.792 . . . . 56.289999999999999 111.821 -175.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 30.2 mt -103.92 130.53 54.34 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.874 0 CA-C-N 112.972 -1.922 . . . . 48.460000000000001 109.684 -177.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -38.21 136.55 0.82 Allowed Pre-proline 0 CA--C 1.513 -0.458 0 N-CA-C 109.173 -0.677 . . . . 77.560000000000002 109.173 177.148 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -63.95 -25.59 66.9 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 N-CA-C 107.997 -1.578 . . . . 63.079999999999998 107.997 176.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.54 -39.45 97.87 Favored Glycine 0 C--N 1.332 0.337 0 O-C-N 123.545 0.528 . . . . 66.469999999999999 114.27 -175.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 43.1 t -56.72 148.66 4.22 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 N-CA-C 114.712 1.375 . . . . 62.159999999999997 114.712 -166.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -91.74 172.72 8.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.319 -0.855 . . . . 71.799999999999997 112.471 -179.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -57.29 -49.23 76.73 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 114.626 -1.17 . . . . 84.140000000000001 112.6 -174.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.62 -49.89 67.05 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 120.809 0.338 . . . . 77.879999999999995 110.71 -177.983 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -57.69 -55.62 32.55 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.656 -0.868 . . . . 59.119999999999997 108.656 -177.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -41.75 -69.25 0.14 Allowed 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 114.983 -1.008 . . . . 71.319999999999993 108.745 171.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -41.42 -50.1 3.86 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 114.919 -1.037 . . . . 82.420000000000002 112.793 -177.223 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.76 -44.29 93.92 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 109.185 -0.672 . . . . 50.890000000000001 109.185 178.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.4 -63.54 1.12 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.141 0.495 . . . . 49.259999999999998 111.612 -175.554 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 99.5 t -44.91 -42.63 2.47 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.661 0 CA-C-O 121.923 0.868 . . . . 45.850000000000001 109.882 179.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -63.82 -54.54 33.48 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 108.084 -1.08 . . . . 63.789999999999999 108.084 179.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 45.5 mmm-85 -53.7 -44.6 69.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.102 -0.499 . . . . 79.349999999999994 111.918 -176.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -71.93 -30.1 64.99 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 118.552 -1.259 . . . . 54.049999999999997 110.999 -178.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.21 96.8 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 121.295 0.569 . . . . 56.450000000000003 111.112 177.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.48 -48.77 60.86 Favored Glycine 0 N--CA 1.444 -0.82 0 N-CA-C 111.225 -0.75 . . . . 60.109999999999999 111.225 -175.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' VAL . . . . . 0.411 ' O ' ' CG ' ' B' ' 33' ' ' ASN . 56.9 t -45.53 -54.25 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.531 0 CA-C-N 115.027 -0.586 . . . . 55.950000000000003 111.574 -179.035 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 33.7 mt -56.85 -47.74 79.69 Favored 'General case' 0 CA--C 1.5 -0.962 0 CA-C-O 121.942 0.877 . . . . 61.689999999999998 110.583 -179.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 1.1 m -75.42 -35.45 60.98 Favored 'General case' 0 N--CA 1.433 -1.278 0 C-N-CA 119.3 -0.96 . . . . 47.780000000000001 111.173 -170.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -73.58 -6.8 48.89 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 121.319 0.581 . . . . 68.170000000000002 110.243 175.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ASN . . . . . 0.411 ' CG ' ' O ' ' B' ' 29' ' ' VAL . 12.1 m-20 -108.1 24.32 13.15 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 114.521 -1.218 . . . . 72.780000000000001 108.476 173.099 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.35 13.48 82.68 Favored Glycine 0 C--O 1.224 -0.504 0 N-CA-C 115.92 1.128 . . . . 51.630000000000003 115.92 167.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -94.41 145.79 24.52 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.54 0.686 . . . . 50.170000000000002 112.383 -178.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.51 125.82 50.29 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.067 -0.97 . . . . 71.019999999999996 109.292 177.149 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -89.83 96.73 6.43 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.904 0 C-N-CA 120.547 -0.461 . . . . 57.009999999999998 111.607 -177.914 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 55.4 mt -58.34 -42.92 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.066 0 C-N-CA 119.161 -1.016 . . . . 57.93 111.938 -173.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -163.73 151.32 12.65 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.003 0.371 . . . . 57.329999999999998 112.003 -173.635 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 46.8 m -132.6 138.92 47.57 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 112.863 0.69 . . . . 68.459999999999994 112.863 178.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -128.11 128.03 44.13 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.888 0.851 . . . . 55.789999999999999 111.592 174.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.25 114.7 29.19 Favored 'General case' 0 N--CA 1.436 -1.137 0 N-CA-C 104.279 -2.489 . . . . 63.090000000000003 104.279 177.014 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' TRP . . . . . 0.465 ' CE3' ' NH2' ' B' ' 46' ' ' ARG . 18.7 m95 -99.54 -5.86 28.47 Favored 'General case' 0 CA--C 1.505 -0.78 0 N-CA-C 107.933 -1.136 . . . . 66.129999999999995 107.933 -175.749 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' GLY . . . . . 0.565 ' N ' ' O ' ' B' ' 104' ' ' HOH . . . 78.2 -156.14 43.08 Favored Glycine 0 N--CA 1.438 -1.216 0 N-CA-C 108.904 -1.679 . . . . 47.439999999999998 108.904 176.046 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -85.9 116.47 24.15 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.232 0.539 . . . . 63.649999999999999 112.12 -177.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' ARG . . . . . 0.465 ' NH2' ' CE3' ' B' ' 43' ' ' TRP . 0.0 OUTLIER -126.96 145.81 50.56 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 107.094 -1.447 . . . . 62.18 107.094 -175.069 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.03 104.07 12.31 Favored 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 105.042 -2.207 . . . . 59.079999999999998 105.042 166.002 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 77.4 mt -111.72 131.0 55.6 Favored 'General case' 0 CA--C 1.496 -1.101 0 N-CA-C 107.859 -1.163 . . . . 44.649999999999999 107.859 -178.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -104.9 137.14 43.12 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 106.071 -1.825 . . . . 51.119999999999997 106.071 174.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -131.28 157.3 43.67 Favored 'General case' 0 CA--C 1.504 -0.806 0 N-CA-C 114.28 1.215 . . . . 60.719999999999999 114.28 -176.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -136.95 116.1 12.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.969 -1.014 . . . . 57.649999999999999 109.931 178.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 39.7 mt -98.05 127.95 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.99 -0.55 . . . . 43.18 111.226 177.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -126.71 117.55 22.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 47.780000000000001 112.189 177.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -149.51 152.9 36.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 68.459999999999994 111.181 -169.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 5.9 tt -129.38 123.88 32.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 51.710000000000001 111.209 171.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -123.43 123.15 40.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 52.25 111.235 -179.977 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -108.98 143.56 38.09 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 116.234 -0.439 . . . . 76.349999999999994 110.783 178.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 158.21 -161.75 31.82 Favored Glycine 0 CA--C 1.498 -0.99 0 C-N-CA 119.505 -1.331 . . . . 42.159999999999997 110.097 171.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -90.22 119.12 30.27 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-O 121.27 0.557 . . . . 61.280000000000001 110.106 177.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -94.39 131.82 39.67 Favored 'General case' 0 N--CA 1.439 -0.979 0 N-CA-C 108.272 -1.01 . . . . 52.82 108.272 -173.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' MSE . . . . . . . . . . . . . 13.5 mmt -128.0 131.68 49.21 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 109.728 -0.471 . . . . 55.950000000000003 109.728 178.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 3.1 mt -132.27 130.27 60.32 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.488 0 N-CA-C 113.269 0.84 . . . . 69.810000000000002 113.269 -178.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 4.5 mt -126.43 136.79 53.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.416 -0.811 . . . . 45.149999999999999 112.828 -176.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -104.1 135.37 45.71 Favored 'General case' 0 CA--C 1.494 -1.193 0 N-CA-C 105.542 -2.022 . . . . 50.130000000000003 105.542 166.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -149.38 156.39 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.925 0 N-CA-C 114.153 1.168 . . . . 49.090000000000003 114.153 -170.436 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -112.71 117.31 31.88 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 106.707 -1.59 . . . . 47.340000000000003 106.707 170.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -155.2 158.84 39.52 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 112.383 0.512 . . . . 48.219999999999999 112.383 -178.084 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -87.96 179.14 6.49 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.507 -0.923 . . . . 60.359999999999999 108.507 169.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' ALA . . . . . 0.607 ' O ' ' N ' ' B' ' 73' ' ' ASN . . . -70.32 -37.75 74.78 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 113.083 0.771 . . . . 68.989999999999995 113.083 -171.749 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -65.63 -49.47 68.58 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 120.38 -0.528 . . . . 74.140000000000001 110.826 -174.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.8 -45.37 59.31 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-O 122.202 1.001 . . . . 52.32 109.833 173.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 4.9 mm -66.2 -55.83 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 CA-C-N 114.644 -1.162 . . . . 52.07 107.866 177.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' ASN . . . . . 0.607 ' N ' ' O ' ' B' ' 69' ' ' ALA . 15.8 m-20 -46.85 -52.55 14.07 Favored 'General case' 0 CA--C 1.499 -1.019 0 CA-C-O 121.65 0.738 . . . . 67.760000000000005 112.339 -179.822 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' GLU . . . . . 0.436 ' OE2' ' NH2' ' B' ' 77' ' ' ARG . 29.5 tp10 -55.64 -55.94 26.27 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.388 -0.824 . . . . 56.759999999999998 111.231 178.474 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' PHE . . . . . 0.507 ' C ' ' CD2' ' B' ' 75' ' ' PHE . 3.8 t80 -44.85 -56.65 4.34 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.552 0.691 . . . . 56.649999999999999 109.535 176.942 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' ASP . . . . . 0.428 ' OD2' ' CE ' ' B' ' 80' ' ' LYS . 7.2 t0 -46.72 -59.78 2.82 Favored 'General case' 0 CA--C 1.509 -0.609 0 N-CA-C 107.971 -1.122 . . . . 68.329999999999998 107.971 -176.982 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' ARG . . . . . 0.436 ' NH2' ' OE2' ' B' ' 74' ' ' GLU . 5.9 ttp85 -38.36 -57.78 1.08 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.957 -1.02 . . . . 70.530000000000001 112.82 177.816 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 10.6 mt -67.07 -29.94 69.85 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 114.173 1.175 . . . . 62.920000000000002 114.173 -175.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.12 -47.5 64.95 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 106.779 -1.563 . . . . 47.530000000000001 106.779 177.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' LYS . . . . . 0.463 ' NZ ' ' O ' ' B' ' 111' ' ' HOH . 4.4 mttm -50.09 -46.69 53.75 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 106.009 -1.849 . . . . 56.549999999999997 106.009 179.505 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -73.51 -43.38 55.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 113.91 1.078 . . . . 58.460000000000001 113.91 -173.507 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -58.33 141.39 51.29 Favored 'General case' 0 CA--C 1.507 -0.71 0 C-N-CA 119.021 -1.071 . . . . 55.369999999999997 112.143 -172.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 16.4 pm0 -80.22 -27.77 38.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.912 -0.586 . . . . 85.849999999999994 111.185 -164.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -97.67 4.21 50.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 68.659999999999997 111.185 -168.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 37.2 mm -97.56 114.37 34.56 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.731 0 N-CA-C 109.665 -0.494 . . . . 46.369999999999997 109.665 173.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 78.3 mt -74.56 -40.64 61.54 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.696 -0.402 . . . . 49.280000000000001 111.297 -179.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' ARG . . . . . 0.663 ' NH1' ' O3 ' ' B' ' 100' ' ' SO4 . 17.4 ttt85 -161.11 159.08 28.67 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 105.799 -1.926 . . . . 52.859999999999999 105.799 -166.414 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -166.39 154.8 10.57 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 106.813 -1.551 . . . . 38.280000000000001 106.813 171.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 3.6 mt -139.65 144.33 28.82 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 CA-C-N 114.382 -1.281 . . . . 54.520000000000003 108.788 -173.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 1.6 m -136.23 138.76 46.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 119.916 -0.714 . . . . 43.560000000000002 110.699 174.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -138.35 135.79 44.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 CA-C-N 115.276 -0.875 . . . . 46.600000000000001 109.814 -174.994 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 39.3 pttt -129.05 163.47 25.36 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 107.745 -1.205 . . . . 79.629999999999995 107.745 176.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -99.97 134.11 43.36 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 106.128 -1.804 . . . . 57.850000000000001 106.128 175.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 116.149 -0.478 . . . . 80.909999999999997 111.025 -173.48 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' SO4 . . . . . 0.663 ' O3 ' ' NH1' ' B' ' 87' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . 0.565 ' O ' ' N ' ' B' ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' HOH . . . . . 0.463 ' O ' ' NZ ' ' B' ' 80' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' ALA . . . . . 0.951 ' O ' ' HG2' ' A' ' 1' ' ' MSE . . . . . . . . 0 C--O 1.243 0.744 0 N-CA-C 110.486 -0.19 . . . . 54.66 110.486 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MSE . . . . . 0.951 ' HG2' ' O ' ' A' ' 0' ' ' ALA . 1.7 mmm -161.31 131.59 5.03 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.679 0.992 . . . . 86.86 113.679 174.724 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -127.08 155.45 43.26 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 107.555 -1.276 . . . . 72.32 107.555 179.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -88.61 119.25 28.9 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.623 -0.831 . . . . 51.88 111.915 172.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -114.55 161.08 18.51 Favored 'General case' 0 CA--C 1.501 -0.904 0 CA-C-O 122.177 0.989 . . . . 48.0 112.065 179.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -129.59 139.91 51.34 Favored 'General case' 0 N--CA 1.433 -1.316 0 N-CA-C 103.904 -2.628 . . . . 82.23 103.904 171.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.7 mt -135.2 138.45 48.68 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.884 0 CA-C-N 117.591 0.178 . . . . 38.7 111.443 -175.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' MSE . . . . . . . . . . . . . 42.4 ttp -126.1 137.01 53.58 Favored 'General case' 0 CA--C 1.493 -1.239 0 N-CA-C 107.916 -1.142 . . . . 73.25 107.916 175.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -145.04 155.12 43.17 Favored 'General case' 0 CA--C 1.488 -1.431 0 C-N-CA 119.58 -0.848 . . . . 55.56 110.306 172.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mt -122.11 127.79 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.035 0 CA-C-N 114.208 -1.36 . . . . 38.62 109.061 -175.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ILE . . . . . 0.471 ' CG2' HG21 ' A' ' 14' ' ' VAL . 59.8 mt -94.05 130.09 43.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 CA-C-N 113.156 -1.838 . . . . 44.31 108.003 174.325 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ARG . . . . . 0.576 ' NH1' ' HA3' ' A' ' 13' ' ' GLY . 47.0 ptt85 -56.96 148.17 50.95 Favored Pre-proline 0 CA--C 1.501 -0.917 0 N-CA-C 107.268 -1.382 . . . . 53.36 107.268 -179.001 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' PRO . . . . . 0.628 ' HD2' ' O ' ' A' ' 97' ' ' HOH . 59.4 Cg_endo -80.89 -1.12 11.05 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 O-C-N 122.774 0.881 . . . . 57.24 111.589 -168.301 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLY . . . . . 0.576 ' HA3' ' NH1' ' A' ' 11' ' ' ARG . . . -82.99 -13.24 78.0 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.006 -0.616 . . . . 60.47 112.729 -176.734 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' VAL . . . . . 0.504 HG13 ' HG3' ' A' ' 11' ' ' ARG . 32.7 m -75.98 140.93 16.48 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.713 0 C-N-CA 123.207 0.603 . . . . 61.8 111.481 -172.783 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -87.44 143.74 27.08 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.502 0.927 . . . . 65.41 113.502 -169.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . 0.563 ' O ' ' HB3' ' A' ' 19' ' ' GLN . 8.3 tt0 -33.68 -57.18 0.44 Allowed 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 114.079 1.14 . . . . 77.21 114.079 -172.087 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -62.16 -41.74 98.58 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 121.109 0.48 . . . . 99.87 112.111 -179.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ALA . . . . . 0.512 ' O ' ' C ' ' A' ' 19' ' ' GLN . . . -55.66 -55.83 27.6 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 106.233 -1.765 . . . . 53.32 106.233 176.983 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLN . . . . . 0.563 ' HB3' ' O ' ' A' ' 16' ' ' GLU . 3.5 tt0 -33.48 -77.57 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.631 -0.713 . . . . 89.8 109.41 176.665 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -44.38 -44.51 8.34 Favored 'General case' 0 C--O 1.219 -0.531 0 C-N-CA 120.235 -0.586 . . . . 69.94 110.831 -174.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.74 -44.82 73.91 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.097 -0.641 . . . . 52.06 111.359 -179.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LEU . . . . . 0.416 ' O ' ' HB3' ' A' ' 25' ' ' ARG . 2.8 tp -67.28 -47.95 69.13 Favored 'General case' 0 CA--C 1.491 -1.297 0 CA-C-O 122.226 1.012 . . . . 50.24 109.222 -178.361 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.9 t -55.35 -59.72 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 CA-C-N 114.149 -1.387 . . . . 45.09 111.306 -179.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -56.06 -34.24 65.74 Favored 'General case' 0 N--CA 1.435 -1.189 0 N-CA-C 105.395 -2.076 . . . . 58.24 105.395 -178.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . 0.416 ' HB3' ' O ' ' A' ' 22' ' ' LEU . 2.7 ttt-85 -59.04 -51.37 70.33 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 118.292 -1.363 . . . . 80.68 111.152 -176.409 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -65.89 -39.06 90.3 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 114.554 1.316 . . . . 50.22 114.554 -174.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.8 -43.8 85.89 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.7 -0.852 . . . . 52.36 108.7 172.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.64 -43.28 79.09 Favored Glycine 0 CA--C 1.506 -0.51 0 N-CA-C 110.428 -1.069 . . . . 53.63 110.428 176.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.8 t -60.41 -38.49 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-O 121.651 0.739 . . . . 46.54 111.06 178.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . 0.525 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 45.3 mt -73.31 -37.45 66.18 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 119.106 -1.038 . . . . 52.47 109.514 -175.967 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.66 -47.51 53.78 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 113.126 0.787 . . . . 60.05 113.126 -171.881 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -54.92 -5.85 0.11 Allowed 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 114.177 1.177 . . . . 58.91 114.177 -179.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -120.41 22.26 11.36 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 115.711 1.745 . . . . 76.51 115.711 -178.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.54 -15.2 57.68 Favored Glycine 0 C--O 1.228 -0.27 0 C-N-CA 120.602 -0.809 . . . . 52.99 113.744 175.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 30' ' ' LEU . . . -58.06 157.05 8.49 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.667 -0.864 . . . . 45.3 108.667 177.275 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -135.93 110.53 8.61 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.795 0.807 . . . . 66.39 110.392 179.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.5 mt -82.83 116.33 26.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.356 -0.838 . . . . 58.81 111.442 -179.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -89.78 -25.76 5.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 N-CA-C 112.296 0.48 . . . . 55.05 112.296 179.178 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -167.19 143.9 4.46 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 116.282 1.956 . . . . 51.58 116.282 178.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.2 m -130.33 137.5 49.96 Favored 'General case' 0 CA--C 1.504 -0.824 0 CA-C-N 116.312 -0.404 . . . . 59.31 111.637 179.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -127.08 138.66 53.24 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 114.865 -1.061 . . . . 74.27 108.836 177.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -120.62 123.44 42.81 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 104.701 -2.333 . . . . 79.06 104.701 179.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' TRP . . . . . 0.71 ' HE3' HH11 ' A' ' 46' ' ' ARG . 49.8 m95 -102.41 1.36 35.23 Favored 'General case' 0 CA--C 1.507 -0.683 0 C-N-CA 119.615 -0.834 . . . . 71.46 109.41 -174.882 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.19 -170.82 33.43 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 107.48 -2.248 . . . . 51.97 107.48 -178.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LYS . . . . . 0.495 ' HB2' ' NZ ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -70.64 132.64 45.74 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.102 -0.639 . . . . 68.38 110.071 -176.398 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ARG . . . . . 0.71 HH11 ' HE3' ' A' ' 43' ' ' TRP . 34.0 mmt180 -142.11 152.01 42.85 Favored 'General case' 0 CA--C 1.521 -0.152 0 N-CA-C 108.225 -1.028 . . . . 64.8 108.225 -175.727 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -116.4 100.08 7.63 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 109.59 -0.522 . . . . 69.59 109.59 169.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 29.9 mt -108.53 131.69 54.58 Favored 'General case' 0 CA--C 1.496 -1.104 0 C-N-CA 119.48 -0.888 . . . . 42.79 108.73 -174.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -98.29 132.66 43.59 Favored 'General case' 0 CA--C 1.492 -1.266 0 N-CA-C 105.704 -1.961 . . . . 42.67 105.704 174.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' TYR . . . . . 0.508 ' CE1' ' O3 ' ' B' ' 100' ' ' SO4 . 39.3 p90 -123.18 134.07 54.19 Favored 'General case' 0 N--CA 1.423 -1.801 0 CA-C-O 121.009 0.433 . . . . 65.07 111.117 176.325 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -119.52 133.43 55.68 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 118.153 -1.419 . . . . 65.84 109.13 167.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 11.0 mt -116.68 152.6 18.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 114.799 -1.092 . . . . 40.73 110.531 -175.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -155.28 121.54 5.21 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.644 -0.502 . . . . 56.67 109.644 179.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -140.89 169.46 17.59 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 107.407 -1.331 . . . . 52.0 107.407 -176.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LEU . . . . . 0.689 HD12 ' N ' ' A' ' 56' ' ' ARG . 0.5 OUTLIER -139.55 122.81 17.01 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 107.327 -1.36 . . . . 49.6 107.327 175.613 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ARG . . . . . 0.689 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -126.6 125.51 42.07 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 121.844 0.831 . . . . 47.45 111.017 -176.933 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -119.95 128.69 53.82 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 106.844 -1.539 . . . . 60.06 106.844 179.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 172.6 177.12 41.76 Favored Glycine 0 N--CA 1.441 -1.033 0 N-CA-C 107.528 -2.229 . . . . 43.99 107.528 179.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -84.27 113.8 21.38 Favored 'General case' 0 CA--C 1.489 -1.383 0 CA-C-O 121.854 0.835 . . . . 63.32 110.866 179.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -90.54 132.85 35.46 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 114.007 -1.451 . . . . 46.03 111.569 -167.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' MSE . . . . . 0.517 ' C ' HD12 ' A' ' 62' ' ' ILE . 68.3 mmm -130.42 134.57 47.22 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 114.86 -1.064 . . . . 83.16 110.005 -175.542 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ILE . . . . . 0.517 HD12 ' C ' ' A' ' 61' ' ' MSE . 2.9 mp -127.99 133.88 66.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 O-C-N 121.571 -0.705 . . . . 56.42 111.789 179.066 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.3 mt -126.47 136.83 53.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 122.831 1.3 . . . . 45.66 114.094 179.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ASN . . . . . 0.402 ' C ' HG23 ' A' ' 65' ' ' VAL . 32.0 t-20 -107.03 127.69 53.69 Favored 'General case' 0 N--CA 1.435 -1.196 0 N-CA-C 107.401 -1.333 . . . . 54.79 107.401 171.924 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' VAL . . . . . 0.402 HG23 ' C ' ' A' ' 64' ' ' ASN . 86.2 t -149.79 137.8 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.929 0 N-CA-C 114.247 1.203 . . . . 51.89 114.247 -168.34 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -99.98 119.04 37.63 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 106.155 -1.795 . . . . 47.23 106.155 168.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -147.5 165.49 30.15 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 112.974 0.731 . . . . 47.7 112.974 -177.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ASN . . . . . 0.485 ' ND2' ' HB3' ' A' ' 70' ' ' GLU . 5.4 p-10 -91.56 160.22 15.52 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.167 -0.924 . . . . 63.94 110.265 172.311 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -47.63 -48.7 28.46 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 108.429 -0.952 . . . . 65.91 108.429 179.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 4.5 tt0 -51.67 -43.08 62.58 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 115.545 -0.752 . . . . 76.69 111.175 -174.932 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.07 -44.5 97.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.463 -0.789 . . . . 52.72 111.913 -175.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 76' ' ' ASP . 30.5 mm -66.26 -36.48 77.5 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.557 0 CA-C-N 115.807 -0.633 . . . . 44.99 111.96 -172.102 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ASN . . . . . 0.415 ' O ' ' HB3' ' A' ' 76' ' ' ASP . 40.4 m-20 -63.92 -43.18 96.7 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-O 121.759 0.79 . . . . 54.26 110.187 -179.682 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' A' ' 70' ' ' GLU . 16.5 mm-40 -56.3 -50.81 70.37 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.083 -0.962 . . . . 73.95 108.86 175.733 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -57.59 -48.7 78.66 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 108.055 -1.091 . . . . 43.48 108.055 173.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 72' ' ' ILE . 40.6 t0 -49.94 -66.86 0.32 Allowed 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 113.95 -1.477 . . . . 69.35 109.271 -178.489 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.1 ttp-105 -46.88 -52.42 14.46 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.638 -1.164 . . . . 74.54 112.414 -174.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 44.1 mt -68.08 -26.04 65.63 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 113.637 0.977 . . . . 53.48 113.637 -173.044 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.9 -40.52 65.48 Favored 'General case' 0 CA--C 1.509 -0.631 0 N-CA-C 108.085 -1.08 . . . . 44.78 108.085 -178.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt -64.18 -39.38 93.88 Favored 'General case' 0 CA--C 1.506 -0.735 0 CA-C-N 115.687 -0.688 . . . . 59.08 112.266 -173.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ILE . . . . . 0.582 HG13 ' N ' ' A' ' 82' ' ' ASN . 0.2 OUTLIER -76.48 -44.95 34.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 C-N-CA 120.128 -0.629 . . . . 75.83 111.365 -176.507 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ASN . . . . . 0.582 ' N ' HG13 ' A' ' 81' ' ' ILE . 18.3 t-20 -57.73 122.79 13.67 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 113.521 0.934 . . . . 59.19 113.521 -173.587 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -71.65 -13.93 61.9 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-N 116.679 -0.237 . . . . 76.8 111.034 -172.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -80.98 -19.65 43.6 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 113.053 0.761 . . . . 65.52 113.053 -179.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.5 mm -96.13 111.45 26.38 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.443 0 CA-C-O 120.869 0.366 . . . . 50.21 111.913 175.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 60.5 mt -77.01 -52.05 10.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.981 0.419 . . . . 53.24 110.451 -178.022 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -144.08 140.64 29.59 Favored 'General case' 0 C--O 1.193 -1.897 0 O-C-N 121.57 -0.706 . . . . 59.04 111.036 -174.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -143.24 155.76 44.58 Favored 'General case' 0 C--N 1.314 -0.939 0 O-C-N 121.394 -0.816 . . . . 45.87 110.345 176.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 36.1 mt -148.8 144.33 18.51 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.936 0 N-CA-C 113.134 0.791 . . . . 45.69 113.134 -166.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 13.7 t -134.83 126.99 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.32 0 CA-C-N 114.997 -1.001 . . . . 47.78 112.153 -172.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 85.3 t -118.98 126.91 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.185 0 CA-C-O 122.769 1.271 . . . . 43.7 109.707 173.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' LYS . . . . . 0.71 ' HG3' ' N ' ' A' ' 93' ' ' GLU . 0.3 OUTLIER -117.12 155.46 29.28 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 114.019 -1.446 . . . . 53.18 109.661 168.451 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 93' ' ' GLU . . . . . 0.71 ' N ' ' HG3' ' A' ' 92' ' ' LYS . 1.0 OUTLIER -84.67 136.85 33.57 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.28 -0.873 . . . . 70.34 109.864 172.197 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 94' ' ' GLU . . . . . 0.706 ' OE2' ' HA ' ' A' ' 94' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.394 0 N-CA-C 108.685 -0.858 . . . . 83.6 108.685 174.72 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 1' ' ' MSE . . . . . 0.503 ' O ' ' HD2' ' B' ' 2' ' ' ARG . 6.8 mtt . . . . . 0 N--CA 1.439 -0.976 0 N-CA-C 111.431 0.159 . . . . 83.74 111.431 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' ARG . . . . . 0.503 ' HD2' ' O ' ' B' ' 1' ' ' MSE . 1.5 mpt_? -141.44 162.69 34.87 Favored 'General case' 0 CA--C 1.506 -0.729 0 N-CA-C 108.216 -1.031 . . . . 67.75 108.216 177.357 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -77.74 144.64 37.05 Favored 'General case' 0 N--CA 1.434 -1.228 0 N-CA-C 105.4 -2.074 . . . . 65.18 105.4 172.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -143.72 151.94 40.66 Favored 'General case' 0 CA--C 1.494 -1.182 0 N-CA-C 107.045 -1.465 . . . . 51.17 107.045 176.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 56.8 tt0 -123.77 138.14 54.56 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 103.696 -2.705 . . . . 96.96 103.696 172.849 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 98.5 mt -137.54 125.46 31.58 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.921 0 CA-C-O 121.926 0.869 . . . . 45.32 111.546 -174.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' MSE . . . . . . . . . . . . . 12.0 ttp -115.35 138.55 50.86 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.465 -1.243 . . . . 120.55 108.722 -177.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -151.07 154.33 36.8 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-O 122.991 1.377 . . . . 46.64 114.333 168.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 39.5 mt -114.62 135.0 55.84 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.628 0 CA-C-N 113.258 -1.792 . . . . 56.29 111.821 -175.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 30.2 mt -103.92 130.53 54.34 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.874 0 CA-C-N 112.972 -1.922 . . . . 48.46 109.684 -177.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -38.21 136.55 0.82 Allowed Pre-proline 0 CA--C 1.513 -0.458 0 N-CA-C 109.173 -0.677 . . . . 77.56 109.173 177.148 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -63.95 -25.59 66.9 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 N-CA-C 107.997 -1.578 . . . . 63.08 107.997 176.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.54 -39.45 97.87 Favored Glycine 0 C--N 1.332 0.337 0 O-C-N 123.545 0.528 . . . . 66.47 114.27 -175.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' VAL . . . . . 0.551 HG13 ' HB3' ' B' ' 18' ' ' ALA . 43.1 t -56.72 148.66 4.22 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 N-CA-C 114.712 1.375 . . . . 62.16 114.712 -166.973 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -91.74 172.72 8.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.319 -0.855 . . . . 71.8 112.471 -179.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' B' ' 20' ' ' LYS . 7.3 tp10 -57.29 -49.23 76.73 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 114.626 -1.17 . . . . 84.14 112.6 -174.372 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.62 -49.89 67.05 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 120.809 0.338 . . . . 77.88 110.71 -177.983 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 18' ' ' ALA . . . . . 0.551 ' HB3' HG13 ' B' ' 14' ' ' VAL . . . -57.69 -55.62 32.55 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.656 -0.868 . . . . 59.12 108.656 -177.486 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -41.75 -69.25 0.14 Allowed 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 114.983 -1.008 . . . . 71.32 108.745 171.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' LYS . . . . . 0.509 ' HD3' ' OE2' ' B' ' 24' ' ' GLU . 0.2 OUTLIER -41.42 -50.1 3.86 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 114.919 -1.037 . . . . 82.42 112.793 -177.223 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.76 -44.29 93.92 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 109.185 -0.672 . . . . 50.89 109.185 178.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.4 -63.54 1.12 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.141 0.495 . . . . 49.26 111.612 -175.554 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 99.5 t -44.91 -42.63 2.47 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.661 0 CA-C-O 121.923 0.868 . . . . 45.85 109.882 179.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLU . . . . . 0.509 ' OE2' ' HD3' ' B' ' 20' ' ' LYS . 30.8 mt-10 -63.82 -54.54 33.48 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 108.084 -1.08 . . . . 63.79 108.084 179.6 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ARG . . . . . 0.495 ' O ' HG23 ' B' ' 29' ' ' VAL . 45.5 mmm-85 -53.7 -44.6 69.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.102 -0.499 . . . . 79.35 111.918 -176.801 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -71.93 -30.1 64.99 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 118.552 -1.259 . . . . 54.05 110.999 -178.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.21 96.8 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 121.295 0.569 . . . . 56.45 111.112 177.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.48 -48.77 60.86 Favored Glycine 0 N--CA 1.444 -0.82 0 N-CA-C 111.225 -0.75 . . . . 60.11 111.225 -175.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 25' ' ' ARG . 56.9 t -45.53 -54.25 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.531 0 CA-C-N 115.027 -0.586 . . . . 55.95 111.574 -179.035 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 33.7 mt -56.85 -47.74 79.69 Favored 'General case' 0 CA--C 1.5 -0.962 0 CA-C-O 121.942 0.877 . . . . 61.69 110.583 -179.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 1.1 m -75.42 -35.45 60.98 Favored 'General case' 0 N--CA 1.433 -1.278 0 C-N-CA 119.3 -0.96 . . . . 47.78 111.173 -170.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -73.58 -6.8 48.89 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 121.319 0.581 . . . . 68.17 110.243 175.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ASN . . . . . 0.411 ' CG ' ' O ' ' B' ' 29' ' ' VAL . 12.1 m-20 -108.1 24.32 13.15 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 114.521 -1.218 . . . . 72.78 108.476 173.099 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.35 13.48 82.68 Favored Glycine 0 C--O 1.224 -0.504 0 N-CA-C 115.92 1.128 . . . . 51.63 115.92 167.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -94.41 145.79 24.52 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.54 0.686 . . . . 50.17 112.383 -178.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.51 125.82 50.29 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.067 -0.97 . . . . 71.02 109.292 177.149 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -89.83 96.73 6.43 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.904 0 C-N-CA 120.547 -0.461 . . . . 57.01 111.607 -177.914 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 55.4 mt -58.34 -42.92 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.066 0 C-N-CA 119.161 -1.016 . . . . 57.93 111.938 -173.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -163.73 151.32 12.65 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.003 0.371 . . . . 57.33 112.003 -173.635 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 46.8 m -132.6 138.92 47.57 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 112.863 0.69 . . . . 68.46 112.863 178.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -128.11 128.03 44.13 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.888 0.851 . . . . 55.79 111.592 174.408 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.25 114.7 29.19 Favored 'General case' 0 N--CA 1.436 -1.137 0 N-CA-C 104.279 -2.489 . . . . 63.09 104.279 177.014 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 43' ' ' TRP . . . . . 0.591 ' HE3' ' NH2' ' B' ' 46' ' ' ARG . 18.7 m95 -99.54 -5.86 28.47 Favored 'General case' 0 CA--C 1.505 -0.78 0 N-CA-C 107.933 -1.136 . . . . 66.13 107.933 -175.749 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 44' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' B' ' 104' ' ' HOH . . . 78.2 -156.14 43.08 Favored Glycine 0 N--CA 1.438 -1.216 0 N-CA-C 108.904 -1.679 . . . . 47.44 108.904 176.046 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -85.9 116.47 24.15 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.232 0.539 . . . . 63.65 112.12 -177.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' ARG . . . . . 0.591 ' NH2' ' HE3' ' B' ' 43' ' ' TRP . 0.0 OUTLIER -126.96 145.81 50.56 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 107.094 -1.447 . . . . 62.18 107.094 -175.069 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.03 104.07 12.31 Favored 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 105.042 -2.207 . . . . 59.08 105.042 166.002 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 77.4 mt -111.72 131.0 55.6 Favored 'General case' 0 CA--C 1.496 -1.101 0 N-CA-C 107.859 -1.163 . . . . 44.65 107.859 -178.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -104.9 137.14 43.12 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 106.071 -1.825 . . . . 51.12 106.071 174.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -131.28 157.3 43.67 Favored 'General case' 0 CA--C 1.504 -0.806 0 N-CA-C 114.28 1.215 . . . . 60.72 114.28 -176.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -136.95 116.1 12.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.969 -1.014 . . . . 57.65 109.931 178.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 39.7 mt -98.05 127.95 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.99 -0.55 . . . . 43.18 111.226 177.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -126.71 117.55 22.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 47.78 112.189 177.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -149.51 152.9 36.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 68.46 111.181 -169.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 5.9 tt -129.38 123.88 32.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 51.71 111.209 171.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -123.43 123.15 40.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 52.25 111.235 -179.977 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 57' ' ' GLU . . . . . 0.409 ' HG2' ' N ' ' B' ' 58' ' ' GLY . 14.1 tt0 -108.98 143.56 38.09 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 116.234 -0.439 . . . . 76.35 110.783 178.025 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 58' ' ' GLY . . . . . 0.409 ' N ' ' HG2' ' B' ' 57' ' ' GLU . . . 158.21 -161.75 31.82 Favored Glycine 0 CA--C 1.498 -0.99 0 C-N-CA 119.505 -1.331 . . . . 42.16 110.097 171.01 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -90.22 119.12 30.27 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-O 121.27 0.557 . . . . 61.28 110.106 177.817 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -94.39 131.82 39.67 Favored 'General case' 0 N--CA 1.439 -0.979 0 N-CA-C 108.272 -1.01 . . . . 52.82 108.272 -173.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' MSE . . . . . . . . . . . . . 13.5 mmt -128.0 131.68 49.21 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 109.728 -0.471 . . . . 55.95 109.728 178.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 3.1 mt -132.27 130.27 60.32 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.488 0 N-CA-C 113.269 0.84 . . . . 69.81 113.269 -178.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 4.5 mt -126.43 136.79 53.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.416 -0.811 . . . . 45.15 112.828 -176.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -104.1 135.37 45.71 Favored 'General case' 0 CA--C 1.494 -1.193 0 N-CA-C 105.542 -2.022 . . . . 50.13 105.542 166.012 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -149.38 156.39 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.925 0 N-CA-C 114.153 1.168 . . . . 49.09 114.153 -170.436 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -112.71 117.31 31.88 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 106.707 -1.59 . . . . 47.34 106.707 170.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -155.2 158.84 39.52 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 112.383 0.512 . . . . 48.22 112.383 -178.084 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -87.96 179.14 6.49 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.507 -0.923 . . . . 60.36 108.507 169.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.32 -37.75 74.78 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 113.083 0.771 . . . . 68.99 113.083 -171.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -65.63 -49.47 68.58 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 120.38 -0.528 . . . . 74.14 110.826 -174.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.8 -45.37 59.31 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-O 122.202 1.001 . . . . 52.32 109.833 173.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' B' ' 72' ' ' ILE . 4.9 mm -66.2 -55.83 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 CA-C-N 114.644 -1.162 . . . . 52.07 107.866 177.703 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -46.85 -52.55 14.07 Favored 'General case' 0 CA--C 1.499 -1.019 0 CA-C-O 121.65 0.738 . . . . 67.76 112.339 -179.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' GLU . . . . . 0.475 ' O ' ' HB3' ' B' ' 77' ' ' ARG . 29.5 tp10 -55.64 -55.94 26.27 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.388 -0.824 . . . . 56.76 111.231 178.474 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 75' ' ' PHE . . . . . 0.507 ' C ' ' CD2' ' B' ' 75' ' ' PHE . 3.8 t80 -44.85 -56.65 4.34 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.552 0.691 . . . . 56.65 109.535 176.942 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 76' ' ' ASP . . . . . 0.453 ' OD2' ' HE2' ' B' ' 80' ' ' LYS . 7.2 t0 -46.72 -59.78 2.82 Favored 'General case' 0 CA--C 1.509 -0.609 0 N-CA-C 107.971 -1.122 . . . . 68.33 107.971 -176.982 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 77' ' ' ARG . . . . . 0.475 ' HB3' ' O ' ' B' ' 74' ' ' GLU . 5.9 ttp85 -38.36 -57.78 1.08 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.957 -1.02 . . . . 70.53 112.82 177.816 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 10.6 mt -67.07 -29.94 69.85 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 114.173 1.175 . . . . 62.92 114.173 -175.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.12 -47.5 64.95 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 106.779 -1.563 . . . . 47.53 106.779 177.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' LYS . . . . . 0.453 ' HE2' ' OD2' ' B' ' 76' ' ' ASP . 4.4 mttm -50.09 -46.69 53.75 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 106.009 -1.849 . . . . 56.55 106.009 179.505 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -73.51 -43.38 55.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 113.91 1.078 . . . . 58.46 113.91 -173.507 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -58.33 141.39 51.29 Favored 'General case' 0 CA--C 1.507 -0.71 0 C-N-CA 119.021 -1.071 . . . . 55.37 112.143 -172.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 16.4 pm0 -80.22 -27.77 38.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.912 -0.586 . . . . 85.85 111.185 -164.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -97.67 4.21 50.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 68.66 111.185 -168.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 37.2 mm -97.56 114.37 34.56 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.731 0 N-CA-C 109.665 -0.494 . . . . 46.37 109.665 173.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 78.3 mt -74.56 -40.64 61.54 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.696 -0.402 . . . . 49.28 111.297 -179.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' ARG . . . . . 0.663 ' NH1' ' O3 ' ' B' ' 100' ' ' SO4 . 17.4 ttt85 -161.11 159.08 28.67 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 105.799 -1.926 . . . . 52.86 105.799 -166.414 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -166.39 154.8 10.57 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 106.813 -1.551 . . . . 38.28 106.813 171.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 3.6 mt -139.65 144.33 28.82 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 CA-C-N 114.382 -1.281 . . . . 54.52 108.788 -173.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 1.6 m -136.23 138.76 46.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 119.916 -0.714 . . . . 43.56 110.699 174.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -138.35 135.79 44.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 CA-C-N 115.276 -0.875 . . . . 46.6 109.814 -174.994 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 39.3 pttt -129.05 163.47 25.36 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 107.745 -1.205 . . . . 79.63 107.745 176.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -99.97 134.11 43.36 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 106.128 -1.804 . . . . 57.85 106.128 175.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 116.149 -0.478 . . . . 80.91 111.025 -173.48 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 100' ' ' SO4 . . . . . 0.663 ' O3 ' ' NH1' ' B' ' 87' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 97' ' ' HOH . . . . . 0.628 ' O ' ' HD2' ' A' ' 12' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . 0.42 ' O ' ' HB1' ' A' ' 0' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . 0.412 ' O ' ' N ' ' B' ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' ALA . . . . . 0.951 ' O ' ' HG2' ' A' ' 1' ' ' MSE . . . . . . . . 0 C--O 1.243 0.744 0 N-CA-C 110.486 -0.19 . . . . 54.66 110.486 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MSE . . . . . 0.951 ' HG2' ' O ' ' A' ' 0' ' ' ALA . 1.7 mmm -161.31 131.59 5.03 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.679 0.992 . . . . 86.86 113.679 174.724 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -127.08 155.45 43.26 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 107.555 -1.276 . . . . 72.32 107.555 179.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.8 mttt -88.61 119.25 28.9 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 119.623 -0.831 . . . . 51.88 111.915 172.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -114.55 161.08 18.51 Favored 'General case' 0 CA--C 1.501 -0.904 0 CA-C-O 122.177 0.989 . . . . 48.0 112.065 179.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -129.59 139.91 51.34 Favored 'General case' 0 N--CA 1.433 -1.316 0 N-CA-C 103.904 -2.628 . . . . 82.23 103.904 171.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 86.7 mt -135.2 138.45 48.68 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.884 0 CA-C-N 117.591 0.178 . . . . 38.7 111.443 -175.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' MSE . . . . . . . . . . . . . 42.4 ttp -126.1 137.01 53.58 Favored 'General case' 0 CA--C 1.493 -1.239 0 N-CA-C 107.916 -1.142 . . . . 73.25 107.916 175.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -145.04 155.12 43.17 Favored 'General case' 0 CA--C 1.488 -1.431 0 C-N-CA 119.58 -0.848 . . . . 55.56 110.306 172.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mt -122.11 127.79 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.035 0 CA-C-N 114.208 -1.36 . . . . 38.62 109.061 -175.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.471 ' CG2' HG21 ' A' ' 14' ' ' VAL . 59.8 mt -94.05 130.09 43.46 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.474 0 CA-C-N 113.156 -1.838 . . . . 44.31 108.003 174.325 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.576 ' NH1' ' HA3' ' A' ' 13' ' ' GLY . 47.0 ptt85 -56.96 148.17 50.95 Favored Pre-proline 0 CA--C 1.501 -0.917 0 N-CA-C 107.268 -1.382 . . . . 53.36 107.268 -179.001 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.628 ' HD2' ' O ' ' A' ' 97' ' ' HOH . 59.4 Cg_endo -80.89 -1.12 11.05 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 O-C-N 122.774 0.881 . . . . 57.24 111.589 -168.301 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.576 ' HA3' ' NH1' ' A' ' 11' ' ' ARG . . . -82.99 -13.24 78.0 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.006 -0.616 . . . . 60.47 112.729 -176.734 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.504 HG13 ' HG3' ' A' ' 11' ' ' ARG . 32.7 m -75.98 140.93 16.48 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.713 0 C-N-CA 123.207 0.603 . . . . 61.8 111.481 -172.783 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -87.44 143.74 27.08 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.502 0.927 . . . . 65.41 113.502 -169.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.563 ' O ' ' HB3' ' A' ' 19' ' ' GLN . 8.3 tt0 -33.68 -57.18 0.44 Allowed 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 114.079 1.14 . . . . 77.21 114.079 -172.087 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -62.16 -41.74 98.58 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 121.109 0.48 . . . . 99.87 112.111 -179.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.512 ' O ' ' C ' ' A' ' 19' ' ' GLN . . . -55.66 -55.83 27.6 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 106.233 -1.765 . . . . 53.32 106.233 176.983 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.563 ' HB3' ' O ' ' A' ' 16' ' ' GLU . 3.5 tt0 -33.48 -77.57 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.631 -0.713 . . . . 89.8 109.41 176.665 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -44.38 -44.51 8.34 Favored 'General case' 0 C--O 1.219 -0.531 0 C-N-CA 120.235 -0.586 . . . . 69.94 110.831 -174.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.74 -44.82 73.91 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.097 -0.641 . . . . 52.06 111.359 -179.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.416 ' O ' ' HB3' ' A' ' 25' ' ' ARG . 2.8 tp -67.28 -47.95 69.13 Favored 'General case' 0 CA--C 1.491 -1.297 0 CA-C-O 122.226 1.012 . . . . 50.24 109.222 -178.361 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.9 t -55.35 -59.72 2.27 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 CA-C-N 114.149 -1.387 . . . . 45.09 111.306 -179.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -56.06 -34.24 65.74 Favored 'General case' 0 N--CA 1.435 -1.189 0 N-CA-C 105.395 -2.076 . . . . 58.24 105.395 -178.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.416 ' HB3' ' O ' ' A' ' 22' ' ' LEU . 2.7 ttt-85 -59.04 -51.37 70.33 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 118.292 -1.363 . . . . 80.68 111.152 -176.409 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -65.89 -39.06 90.3 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 114.554 1.316 . . . . 50.22 114.554 -174.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.8 -43.8 85.89 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.7 -0.852 . . . . 52.36 108.7 172.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -54.64 -43.28 79.09 Favored Glycine 0 CA--C 1.506 -0.51 0 N-CA-C 110.428 -1.069 . . . . 53.63 110.428 176.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.8 t -60.41 -38.49 78.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-O 121.651 0.739 . . . . 46.54 111.06 178.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.525 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 45.3 mt -73.31 -37.45 66.18 Favored 'General case' 0 C--N 1.317 -0.841 0 C-N-CA 119.106 -1.038 . . . . 52.47 109.514 -175.967 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.66 -47.51 53.78 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 113.126 0.787 . . . . 60.05 113.126 -171.881 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -54.92 -5.85 0.11 Allowed 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 114.177 1.177 . . . . 58.91 114.177 -179.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -120.41 22.26 11.36 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 115.711 1.745 . . . . 76.51 115.711 -178.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 88.54 -15.2 57.68 Favored Glycine 0 C--O 1.228 -0.27 0 C-N-CA 120.602 -0.809 . . . . 52.99 113.744 175.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 30' ' ' LEU . . . -58.06 157.05 8.49 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.667 -0.864 . . . . 45.3 108.667 177.275 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -135.93 110.53 8.61 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.795 0.807 . . . . 66.39 110.392 179.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 50.5 mt -82.83 116.33 26.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.356 -0.838 . . . . 58.81 111.442 -179.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -89.78 -25.76 5.52 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.537 0 N-CA-C 112.296 0.48 . . . . 55.05 112.296 179.178 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -167.19 143.9 4.46 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 116.282 1.956 . . . . 51.58 116.282 178.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.2 m -130.33 137.5 49.96 Favored 'General case' 0 CA--C 1.504 -0.824 0 CA-C-N 116.312 -0.404 . . . . 59.31 111.637 179.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.5 mtpt -127.08 138.66 53.24 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 114.865 -1.061 . . . . 74.27 108.836 177.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -120.62 123.44 42.81 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 104.701 -2.333 . . . . 79.06 104.701 179.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.71 ' HE3' HH11 ' A' ' 46' ' ' ARG . 49.8 m95 -102.41 1.36 35.23 Favored 'General case' 0 CA--C 1.507 -0.683 0 C-N-CA 119.615 -0.834 . . . . 71.46 109.41 -174.882 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 67.19 -170.82 33.43 Favored Glycine 0 N--CA 1.442 -0.909 0 N-CA-C 107.48 -2.248 . . . . 51.97 107.48 -178.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.495 ' HB2' ' NZ ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -70.64 132.64 45.74 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.102 -0.639 . . . . 68.38 110.071 -176.398 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.71 HH11 ' HE3' ' A' ' 43' ' ' TRP . 34.0 mmt180 -142.11 152.01 42.85 Favored 'General case' 0 CA--C 1.521 -0.152 0 N-CA-C 108.225 -1.028 . . . . 64.8 108.225 -175.727 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -116.4 100.08 7.63 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 109.59 -0.522 . . . . 69.59 109.59 169.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 29.9 mt -108.53 131.69 54.58 Favored 'General case' 0 CA--C 1.496 -1.104 0 C-N-CA 119.48 -0.888 . . . . 42.79 108.73 -174.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -98.29 132.66 43.59 Favored 'General case' 0 CA--C 1.492 -1.266 0 N-CA-C 105.704 -1.961 . . . . 42.67 105.704 174.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.508 ' CE1' ' O3 ' ' B' ' 100' ' ' SO4 . 39.3 p90 -123.18 134.07 54.19 Favored 'General case' 0 N--CA 1.423 -1.801 0 CA-C-O 121.009 0.433 . . . . 65.07 111.117 176.325 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -119.52 133.43 55.68 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 118.153 -1.419 . . . . 65.84 109.13 167.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.47 ' C ' ' ND2' ' A' ' 53' ' ' ASN . 11.0 mt -116.68 152.6 18.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 114.799 -1.092 . . . . 40.73 110.531 -175.114 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.47 ' ND2' ' C ' ' A' ' 52' ' ' ILE . 1.6 m-80 -155.28 121.54 5.21 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.644 -0.502 . . . . 56.67 109.644 179.728 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -140.89 169.46 17.59 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 107.407 -1.331 . . . . 52.0 107.407 -176.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.689 HD12 ' N ' ' A' ' 56' ' ' ARG . 0.5 OUTLIER -139.55 122.81 17.01 Favored 'General case' 0 CA--C 1.51 -0.58 0 N-CA-C 107.327 -1.36 . . . . 49.6 107.327 175.613 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.689 ' N ' HD12 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -126.6 125.51 42.07 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 121.844 0.831 . . . . 47.45 111.017 -176.933 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -119.95 128.69 53.82 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 106.844 -1.539 . . . . 60.06 106.844 179.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 172.6 177.12 41.76 Favored Glycine 0 N--CA 1.441 -1.033 0 N-CA-C 107.528 -2.229 . . . . 43.99 107.528 179.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -84.27 113.8 21.38 Favored 'General case' 0 CA--C 1.489 -1.383 0 CA-C-O 121.854 0.835 . . . . 63.32 110.866 179.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -90.54 132.85 35.46 Favored 'General case' 0 N--CA 1.437 -1.08 0 CA-C-N 114.007 -1.451 . . . . 46.03 111.569 -167.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' MSE . . . . . 0.517 ' C ' HD12 ' A' ' 62' ' ' ILE . 68.3 mmm -130.42 134.57 47.22 Favored 'General case' 0 C--O 1.217 -0.644 0 CA-C-N 114.86 -1.064 . . . . 83.16 110.005 -175.542 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.517 HD12 ' C ' ' A' ' 61' ' ' MSE . 2.9 mp -127.99 133.88 66.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 O-C-N 121.571 -0.705 . . . . 56.42 111.789 179.066 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 36.3 mt -126.47 136.83 53.13 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 122.831 1.3 . . . . 45.66 114.094 179.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.402 ' C ' HG23 ' A' ' 65' ' ' VAL . 32.0 t-20 -107.03 127.69 53.69 Favored 'General case' 0 N--CA 1.435 -1.196 0 N-CA-C 107.401 -1.333 . . . . 54.79 107.401 171.924 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.402 HG23 ' C ' ' A' ' 64' ' ' ASN . 86.2 t -149.79 137.8 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.929 0 N-CA-C 114.247 1.203 . . . . 51.89 114.247 -168.34 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -99.98 119.04 37.63 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 106.155 -1.795 . . . . 47.23 106.155 168.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -147.5 165.49 30.15 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 112.974 0.731 . . . . 47.7 112.974 -177.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.814 ' H ' ' ND2' ' A' ' 68' ' ' ASN . 0.0 OUTLIER -91.56 160.22 15.52 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.167 -0.924 . . . . 63.94 110.265 172.311 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -47.63 -48.7 28.46 Favored 'General case' 0 CA--C 1.51 -0.583 0 N-CA-C 108.429 -0.952 . . . . 65.91 108.429 179.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.502 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 4.5 tt0 -51.67 -43.08 62.58 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 115.545 -0.752 . . . . 76.69 111.175 -174.932 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.07 -44.5 97.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.463 -0.789 . . . . 52.72 111.913 -175.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 76' ' ' ASP . 30.5 mm -66.26 -36.48 77.5 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.557 0 CA-C-N 115.807 -0.633 . . . . 44.99 111.96 -172.102 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.415 ' O ' ' HB3' ' A' ' 76' ' ' ASP . 40.4 m-20 -63.92 -43.18 96.7 Favored 'General case' 0 CA--C 1.505 -0.781 0 CA-C-O 121.759 0.79 . . . . 54.26 110.187 -179.682 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' A' ' 70' ' ' GLU . 16.5 mm-40 -56.3 -50.81 70.37 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.083 -0.962 . . . . 73.95 108.86 175.733 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -57.59 -48.7 78.66 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 108.055 -1.091 . . . . 43.48 108.055 173.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 72' ' ' ILE . 40.6 t0 -49.94 -66.86 0.32 Allowed 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 113.95 -1.477 . . . . 69.35 109.271 -178.489 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.1 ttp-105 -46.88 -52.42 14.46 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.638 -1.164 . . . . 74.54 112.414 -174.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 44.1 mt -68.08 -26.04 65.63 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 113.637 0.977 . . . . 53.48 113.637 -173.044 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.9 -40.52 65.48 Favored 'General case' 0 CA--C 1.509 -0.631 0 N-CA-C 108.085 -1.08 . . . . 44.78 108.085 -178.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt -64.18 -39.38 93.88 Favored 'General case' 0 CA--C 1.506 -0.735 0 CA-C-N 115.687 -0.688 . . . . 59.08 112.266 -173.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.582 HG13 ' N ' ' A' ' 82' ' ' ASN . 0.2 OUTLIER -76.48 -44.95 34.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 C-N-CA 120.128 -0.629 . . . . 75.83 111.365 -176.507 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.582 ' N ' HG13 ' A' ' 81' ' ' ILE . 18.3 t-20 -57.73 122.79 13.67 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 113.521 0.934 . . . . 59.19 113.521 -173.587 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -71.65 -13.93 61.9 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-N 116.679 -0.237 . . . . 76.8 111.034 -172.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -80.98 -19.65 43.6 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 113.053 0.761 . . . . 65.52 113.053 -179.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.5 mm -96.13 111.45 26.38 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.443 0 CA-C-O 120.869 0.366 . . . . 50.21 111.913 175.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 60.5 mt -77.01 -52.05 10.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.981 0.419 . . . . 53.24 110.451 -178.022 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.0 ttt85 -144.08 140.64 29.59 Favored 'General case' 0 C--O 1.193 -1.897 0 O-C-N 121.57 -0.706 . . . . 59.04 111.036 -174.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -143.24 155.76 44.58 Favored 'General case' 0 C--N 1.314 -0.939 0 O-C-N 121.394 -0.816 . . . . 45.87 110.345 176.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 36.1 mt -148.8 144.33 18.51 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.936 0 N-CA-C 113.134 0.791 . . . . 45.69 113.134 -166.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 13.7 t -134.83 126.99 48.28 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.32 0 CA-C-N 114.997 -1.001 . . . . 47.78 112.153 -172.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 85.3 t -118.98 126.91 75.76 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.185 0 CA-C-O 122.769 1.271 . . . . 43.7 109.707 173.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.71 ' HG3' ' N ' ' A' ' 93' ' ' GLU . 0.3 OUTLIER -117.12 155.46 29.28 Favored 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 114.019 -1.446 . . . . 53.18 109.661 168.451 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.71 ' N ' ' HG3' ' A' ' 92' ' ' LYS . 1.0 OUTLIER -84.67 136.85 33.57 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.28 -0.873 . . . . 70.34 109.864 172.197 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.706 ' OE2' ' HA ' ' A' ' 94' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.394 0 N-CA-C 108.685 -0.858 . . . . 83.6 108.685 174.72 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' MSE . . . . . 0.503 ' O ' ' HD2' ' B' ' 2' ' ' ARG . 6.8 mtt . . . . . 0 N--CA 1.439 -0.976 0 N-CA-C 111.431 0.159 . . . . 83.74 111.431 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.503 ' HD2' ' O ' ' B' ' 1' ' ' MSE . 1.5 mpt_? -141.44 162.69 34.87 Favored 'General case' 0 CA--C 1.506 -0.729 0 N-CA-C 108.216 -1.031 . . . . 67.75 108.216 177.357 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 4.9 mtpp -77.74 144.64 37.05 Favored 'General case' 0 N--CA 1.434 -1.228 0 N-CA-C 105.4 -2.074 . . . . 65.18 105.4 172.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -143.72 151.94 40.66 Favored 'General case' 0 CA--C 1.494 -1.182 0 N-CA-C 107.045 -1.465 . . . . 51.17 107.045 176.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 56.8 tt0 -123.77 138.14 54.56 Favored 'General case' 0 N--CA 1.436 -1.138 0 N-CA-C 103.696 -2.705 . . . . 96.96 103.696 172.849 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 98.5 mt -137.54 125.46 31.58 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.921 0 CA-C-O 121.926 0.869 . . . . 45.32 111.546 -174.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' MSE . . . . . . . . . . . . . 12.0 ttp -115.35 138.55 50.86 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 114.465 -1.243 . . . . 120.55 108.722 -177.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -151.07 154.33 36.8 Favored 'General case' 0 C--O 1.245 0.827 0 CA-C-O 122.991 1.377 . . . . 46.64 114.333 168.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 39.5 mt -114.62 135.0 55.84 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.628 0 CA-C-N 113.258 -1.792 . . . . 56.29 111.821 -175.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 30.2 mt -103.92 130.53 54.34 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.874 0 CA-C-N 112.972 -1.922 . . . . 48.46 109.684 -177.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -38.21 136.55 0.82 Allowed Pre-proline 0 CA--C 1.513 -0.458 0 N-CA-C 109.173 -0.677 . . . . 77.56 109.173 177.148 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -63.95 -25.59 66.9 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 N-CA-C 107.997 -1.578 . . . . 63.08 107.997 176.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.54 -39.45 97.87 Favored Glycine 0 C--N 1.332 0.337 0 O-C-N 123.545 0.528 . . . . 66.47 114.27 -175.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.551 HG13 ' HB3' ' B' ' 18' ' ' ALA . 43.1 t -56.72 148.66 4.22 Favored 'Isoleucine or valine' 0 C--O 1.239 0.501 0 N-CA-C 114.712 1.375 . . . . 62.16 114.712 -166.973 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -91.74 172.72 8.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.319 -0.855 . . . . 71.8 112.471 -179.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' B' ' 20' ' ' LYS . 7.3 tp10 -57.29 -49.23 76.73 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 114.626 -1.17 . . . . 84.14 112.6 -174.372 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.62 -49.89 67.05 Favored 'General case' 0 CA--C 1.518 -0.25 0 CA-C-O 120.809 0.338 . . . . 77.88 110.71 -177.983 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.551 ' HB3' HG13 ' B' ' 14' ' ' VAL . . . -57.69 -55.62 32.55 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.656 -0.868 . . . . 59.12 108.656 -177.486 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -41.75 -69.25 0.14 Allowed 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 114.983 -1.008 . . . . 71.32 108.745 171.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' LYS . . . . . 0.509 ' HD3' ' OE2' ' B' ' 24' ' ' GLU . 0.2 OUTLIER -41.42 -50.1 3.86 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 114.919 -1.037 . . . . 82.42 112.793 -177.223 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.76 -44.29 93.92 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 109.185 -0.672 . . . . 50.89 109.185 178.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.4 -63.54 1.12 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.141 0.495 . . . . 49.26 111.612 -175.554 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 99.5 t -44.91 -42.63 2.47 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.661 0 CA-C-O 121.923 0.868 . . . . 45.85 109.882 179.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.509 ' OE2' ' HD3' ' B' ' 20' ' ' LYS . 30.8 mt-10 -63.82 -54.54 33.48 Favored 'General case' 0 N--CA 1.442 -0.839 0 N-CA-C 108.084 -1.08 . . . . 63.79 108.084 179.6 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.495 ' O ' HG23 ' B' ' 29' ' ' VAL . 45.5 mmm-85 -53.7 -44.6 69.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.102 -0.499 . . . . 79.35 111.918 -176.801 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -71.93 -30.1 64.99 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 118.552 -1.259 . . . . 54.05 110.999 -178.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.42 -41.21 96.8 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 121.295 0.569 . . . . 56.45 111.112 177.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -66.48 -48.77 60.86 Favored Glycine 0 N--CA 1.444 -0.82 0 N-CA-C 111.225 -0.75 . . . . 60.11 111.225 -175.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.495 HG23 ' O ' ' B' ' 25' ' ' ARG . 56.9 t -45.53 -54.25 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.531 0 CA-C-N 115.027 -0.586 . . . . 55.95 111.574 -179.035 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 33.7 mt -56.85 -47.74 79.69 Favored 'General case' 0 CA--C 1.5 -0.962 0 CA-C-O 121.942 0.877 . . . . 61.69 110.583 -179.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 1.1 m -75.42 -35.45 60.98 Favored 'General case' 0 N--CA 1.433 -1.278 0 C-N-CA 119.3 -0.96 . . . . 47.78 111.173 -170.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -73.58 -6.8 48.89 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 121.319 0.581 . . . . 68.17 110.243 175.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ASN . . . . . 0.411 ' CG ' ' O ' ' B' ' 29' ' ' VAL . 12.1 m-20 -108.1 24.32 13.15 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 114.521 -1.218 . . . . 72.78 108.476 173.099 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.35 13.48 82.68 Favored Glycine 0 C--O 1.224 -0.504 0 N-CA-C 115.92 1.128 . . . . 51.63 115.92 167.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -94.41 145.79 24.52 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.54 0.686 . . . . 50.17 112.383 -178.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -103.51 125.82 50.29 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.067 -0.97 . . . . 71.02 109.292 177.149 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -89.83 96.73 6.43 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.904 0 C-N-CA 120.547 -0.461 . . . . 57.01 111.607 -177.914 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 55.4 mt -58.34 -42.92 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.066 0 C-N-CA 119.161 -1.016 . . . . 57.93 111.938 -173.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -163.73 151.32 12.65 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.003 0.371 . . . . 57.33 112.003 -173.635 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 46.8 m -132.6 138.92 47.57 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 112.863 0.69 . . . . 68.46 112.863 178.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' LYS . . . . . . . . . . . . . 20.6 mttp -128.11 128.03 44.13 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.888 0.851 . . . . 55.79 111.592 174.408 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.25 114.7 29.19 Favored 'General case' 0 N--CA 1.436 -1.137 0 N-CA-C 104.279 -2.489 . . . . 63.09 104.279 177.014 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.591 ' HE3' ' NH2' ' B' ' 46' ' ' ARG . 18.7 m95 -99.54 -5.86 28.47 Favored 'General case' 0 CA--C 1.505 -0.78 0 N-CA-C 107.933 -1.136 . . . . 66.13 107.933 -175.749 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' B' ' 104' ' ' HOH . . . 78.2 -156.14 43.08 Favored Glycine 0 N--CA 1.438 -1.216 0 N-CA-C 108.904 -1.679 . . . . 47.44 108.904 176.046 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -85.9 116.47 24.15 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.232 0.539 . . . . 63.65 112.12 -177.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.591 ' NH2' ' HE3' ' B' ' 43' ' ' TRP . 0.0 OUTLIER -126.96 145.81 50.56 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 107.094 -1.447 . . . . 62.18 107.094 -175.069 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.03 104.07 12.31 Favored 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 105.042 -2.207 . . . . 59.08 105.042 166.002 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 77.4 mt -111.72 131.0 55.6 Favored 'General case' 0 CA--C 1.496 -1.101 0 N-CA-C 107.859 -1.163 . . . . 44.65 107.859 -178.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' ALA . . . . . . . . . . . . . . . -104.9 137.14 43.12 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 106.071 -1.825 . . . . 51.12 106.071 174.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -131.28 157.3 43.67 Favored 'General case' 0 CA--C 1.504 -0.806 0 N-CA-C 114.28 1.215 . . . . 60.72 114.28 -176.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -136.95 116.1 12.51 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.969 -1.014 . . . . 57.65 109.931 178.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 39.7 mt -98.05 127.95 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.99 -0.55 . . . . 43.18 111.226 177.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -126.71 117.55 22.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 47.78 112.189 177.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -149.51 152.9 36.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 68.46 111.181 -169.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 5.9 tt -129.38 123.88 32.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 51.71 111.209 171.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -123.43 123.15 40.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 52.25 111.235 -179.977 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' GLU . . . . . 0.409 ' HG2' ' N ' ' B' ' 58' ' ' GLY . 14.1 tt0 -108.98 143.56 38.09 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 116.234 -0.439 . . . . 76.35 110.783 178.025 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' GLY . . . . . 0.409 ' N ' ' HG2' ' B' ' 57' ' ' GLU . . . 158.21 -161.75 31.82 Favored Glycine 0 CA--C 1.498 -0.99 0 C-N-CA 119.505 -1.331 . . . . 42.16 110.097 171.01 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -90.22 119.12 30.27 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-O 121.27 0.557 . . . . 61.28 110.106 177.817 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -94.39 131.82 39.67 Favored 'General case' 0 N--CA 1.439 -0.979 0 N-CA-C 108.272 -1.01 . . . . 52.82 108.272 -173.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' MSE . . . . . . . . . . . . . 13.5 mmt -128.0 131.68 49.21 Favored 'General case' 0 C--O 1.221 -0.395 0 N-CA-C 109.728 -0.471 . . . . 55.95 109.728 178.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 3.1 mt -132.27 130.27 60.32 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.488 0 N-CA-C 113.269 0.84 . . . . 69.81 113.269 -178.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' LEU . . . . . . . . . . . . . 4.5 mt -126.43 136.79 53.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.416 -0.811 . . . . 45.15 112.828 -176.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -104.1 135.37 45.71 Favored 'General case' 0 CA--C 1.494 -1.193 0 N-CA-C 105.542 -2.022 . . . . 50.13 105.542 166.012 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -149.38 156.39 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.925 0 N-CA-C 114.153 1.168 . . . . 49.09 114.153 -170.436 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -112.71 117.31 31.88 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 106.707 -1.59 . . . . 47.34 106.707 170.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' ALA . . . . . . . . . . . . . . . -155.2 158.84 39.52 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 112.383 0.512 . . . . 48.22 112.383 -178.084 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -87.96 179.14 6.49 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.507 -0.923 . . . . 60.36 108.507 169.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' ALA . . . . . . . . . . . . . . . -70.32 -37.75 74.78 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 113.083 0.771 . . . . 68.99 113.083 -171.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -65.63 -49.47 68.58 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 120.38 -0.528 . . . . 74.14 110.826 -174.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.8 -45.37 59.31 Favored 'General case' 0 C--O 1.242 0.705 0 CA-C-O 122.202 1.001 . . . . 52.32 109.833 173.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' B' ' 72' ' ' ILE . 4.9 mm -66.2 -55.83 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 CA-C-N 114.644 -1.162 . . . . 52.07 107.866 177.703 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' ASN . . . . . . . . . . . . . 15.8 m-20 -46.85 -52.55 14.07 Favored 'General case' 0 CA--C 1.499 -1.019 0 CA-C-O 121.65 0.738 . . . . 67.76 112.339 -179.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' GLU . . . . . 0.475 ' O ' ' HB3' ' B' ' 77' ' ' ARG . 29.5 tp10 -55.64 -55.94 26.27 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.388 -0.824 . . . . 56.76 111.231 178.474 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' PHE . . . . . 0.507 ' C ' ' CD2' ' B' ' 75' ' ' PHE . 3.8 t80 -44.85 -56.65 4.34 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.552 0.691 . . . . 56.65 109.535 176.942 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' ASP . . . . . 0.453 ' OD2' ' HE2' ' B' ' 80' ' ' LYS . 7.2 t0 -46.72 -59.78 2.82 Favored 'General case' 0 CA--C 1.509 -0.609 0 N-CA-C 107.971 -1.122 . . . . 68.33 107.971 -176.982 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' ARG . . . . . 0.475 ' HB3' ' O ' ' B' ' 74' ' ' GLU . 5.9 ttp85 -38.36 -57.78 1.08 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.957 -1.02 . . . . 70.53 112.82 177.816 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' LEU . . . . . . . . . . . . . 10.6 mt -67.07 -29.94 69.85 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 114.173 1.175 . . . . 62.92 114.173 -175.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.12 -47.5 64.95 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 106.779 -1.563 . . . . 47.53 106.779 177.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' LYS . . . . . 0.453 ' HE2' ' OD2' ' B' ' 76' ' ' ASP . 4.4 mttm -50.09 -46.69 53.75 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 106.009 -1.849 . . . . 56.55 106.009 179.505 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -73.51 -43.38 55.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 113.91 1.078 . . . . 58.46 113.91 -173.507 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -58.33 141.39 51.29 Favored 'General case' 0 CA--C 1.507 -0.71 0 C-N-CA 119.021 -1.071 . . . . 55.37 112.143 -172.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 16.4 pm0 -80.22 -27.77 38.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.912 -0.586 . . . . 85.85 111.185 -164.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -97.67 4.21 50.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 68.66 111.185 -168.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 37.2 mm -97.56 114.37 34.56 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.731 0 N-CA-C 109.665 -0.494 . . . . 46.37 109.665 173.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 78.3 mt -74.56 -40.64 61.54 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.696 -0.402 . . . . 49.28 111.297 -179.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' ARG . . . . . 0.663 ' NH1' ' O3 ' ' B' ' 100' ' ' SO4 . 17.4 ttt85 -161.11 159.08 28.67 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 105.799 -1.926 . . . . 52.86 105.799 -166.414 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -166.39 154.8 10.57 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 106.813 -1.551 . . . . 38.28 106.813 171.777 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' ILE . . . . . . . . . . . . . 3.6 mt -139.65 144.33 28.82 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 CA-C-N 114.382 -1.281 . . . . 54.52 108.788 -173.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 1.6 m -136.23 138.76 46.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 C-N-CA 119.916 -0.714 . . . . 43.56 110.699 174.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -138.35 135.79 44.25 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.443 0 CA-C-N 115.276 -0.875 . . . . 46.6 109.814 -174.994 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 39.3 pttt -129.05 163.47 25.36 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 107.745 -1.205 . . . . 79.63 107.745 176.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -99.97 134.11 43.36 Favored 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 106.128 -1.804 . . . . 57.85 106.128 175.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 116.149 -0.478 . . . . 80.91 111.025 -173.48 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' SO4 . . . . . 0.663 ' O3 ' ' NH1' ' B' ' 87' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' HOH . . . . . 0.628 ' O ' ' HD2' ' A' ' 12' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . 0.42 ' O ' ' HB1' ' A' ' 0' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . 0.412 ' O ' ' N ' ' B' ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_